(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C13H19N3O3S — CID 110156524

IUPAC(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCc1nnsc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C13H19N3O3S/c1-2-9-11(20-15-14-9)12(18)16-6-5-13(10(17)8-16)4-3-7-19-13/h10,17H,2-8H2,1H3/t10-,13-/m0/s1
InChIKeyGGPURDWVXZKESJ-GWCFXTLKSA-N
MW297.38 g/mol
LogP0.86
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 110156524) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID110156524
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCc1nnsc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C13H19N3O3S/c1-2-9-11(20-15-14-9)12(18)16-6-5-13(10(17)8-16)4-3-7-19-13/h10,17H,2-8H2,1H3/t10-,13-/m0/s1
InChIKeyGGPURDWVXZKESJ-GWCFXTLKSA-N
XLogP0.86
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
(3R)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512513
(3S)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512514
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
CID 114508168
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 110156524) is (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is CCc1nnsc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is GGPURDWVXZKESJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-9-11(20-15-14-9)12(18)16-6-5-13(10(17)8-16)4-3-7-19-13/h10,17H,2-8H2,1H3/t10-,13-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 297.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 110156524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).